2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one

C16H25N3O2 — CID 114397097

IUPAC2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1CC(O)C1CCCC1
InChIInChI=1S/C16H25N3O2/c20-15(13-6-2-3-7-13)12-19-16(21)10-14(11-17-19)18-8-4-1-5-9-18/h10-11,13,15,20H,1-9,12H2
InChIKeyUTXOZOASNXNGMA-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.78
Rot. Bonds4

About 2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one

2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114397097) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID114397097
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1CC(O)C1CCCC1
InChIInChI=1S/C16H25N3O2/c20-15(13-6-2-3-7-13)12-19-16(21)10-14(11-17-19)18-8-4-1-5-9-18/h10-11,13,15,20H,1-9,12H2
InChIKeyUTXOZOASNXNGMA-UHFFFAOYSA-N
XLogP1.78
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one (CID 114397097) is 2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)cnn1CC(O)C1CCCC1.
What is the InChIKey of 2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is UTXOZOASNXNGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-15(13-6-2-3-7-13)12-19-16(21)10-14(11-17-19)18-8-4-1-5-9-18/h10-11,13,15,20H,1-9,12H2.
What are the key properties of 2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one?
2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 291.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-2-hydroxyethyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114397097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).